- InChI
- InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
- InChI Key
- OTXANOLOOUNVSR-UHFFFAOYSA-N
- Formula
- C12H19NO3
- SMILES
- CNCCc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 225.28
- CAS
- 4838-96-4
- Other Names
-
- Benzenethanamine,3,4,5-trimethoxy-N-methyl-
- Mescaline, N-methyl-
- N-Methylmescaline
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -91.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.474 | Crippen Calculated Property | |
| McVol | 183.770 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Inp | 1700.00 | NIST | |
| Tboil | 633.01 | K | Joback Calculated Property |
| Tc | 831.08 | K | Joback Calculated Property |
| Tfus | 408.33 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.50; 557.06] | J/mol×K | [633.01; 831.08] | 
|
| Cp,gas | 477.50 | J/mol×K | 633.01 | Joback Calculated Property |
| Cp,gas | 492.54 | J/mol×K | 666.02 | Joback Calculated Property |
| Cp,gas | 506.89 | J/mol×K | 699.03 | Joback Calculated Property |
| Cp,gas | 520.53 | J/mol×K | 732.04 | Joback Calculated Property |
| Cp,gas | 533.45 | J/mol×K | 765.05 | Joback Calculated Property |
| Cp,gas | 545.63 | J/mol×K | 798.07 | Joback Calculated Property |
| Cp,gas | 557.06 | J/mol×K | 831.08 | Joback Calculated Property |
Similar Compounds
![Acetamide, 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)
Find more compounds similar to Benzeneethanamine,3,4,5-trimethoxy-N-methyl-.
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